1-(2,3,5-trimethyl-1,2-oxazolidin-4-yl)ethanone

C8H15NO2 — CID 15586250

IUPAC1-(2,3,5-trimethyl-1,2-oxazolidin-4-yl)ethanone
SMILESCC(=O)C1C(C)ON(C)C1C
InChIInChI=1S/C8H15NO2/c1-5-8(6(2)10)7(3)11-9(5)4/h5,7-8H,1-4H3
InChIKeyAEDROYUSVYZJLQ-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.85
Rot. Bonds1

About 1-(2,3,5-trimethyl-1,2-oxazolidin-4-yl)ethanone

1-(2,3,5-trimethyl-1,2-oxazolidin-4-yl)ethanone (PubChem CID 15586250) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-(2,3,5-trimethyl-1,2-oxazolidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,3,5-trimethyl-1,2-oxazolidin-4-yl)ethanone
PubChem CID15586250
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-(2,3,5-trimethyl-1,2-oxazolidin-4-yl)ethanone
SMILESCC(=O)C1C(C)ON(C)C1C
InChIInChI=1S/C8H15NO2/c1-5-8(6(2)10)7(3)11-9(5)4/h5,7-8H,1-4H3
InChIKeyAEDROYUSVYZJLQ-UHFFFAOYSA-N
XLogP0.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 176443297
CID 176443297
CID 176443314
CID 176443314
CID 176443316
CID 176443316

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5-trimethyl-1,2-oxazolidin-4-yl)ethanone?
The IUPAC name of 1-(2,3,5-trimethyl-1,2-oxazolidin-4-yl)ethanone (CID 15586250) is 1-(2,3,5-trimethyl-1,2-oxazolidin-4-yl)ethanone.
What is the SMILES notation for 1-(2,3,5-trimethyl-1,2-oxazolidin-4-yl)ethanone?
The canonical SMILES for 1-(2,3,5-trimethyl-1,2-oxazolidin-4-yl)ethanone is CC(=O)C1C(C)ON(C)C1C.
What is the InChIKey of 1-(2,3,5-trimethyl-1,2-oxazolidin-4-yl)ethanone?
The InChIKey is AEDROYUSVYZJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-8(6(2)10)7(3)11-9(5)4/h5,7-8H,1-4H3.
What are the key properties of 1-(2,3,5-trimethyl-1,2-oxazolidin-4-yl)ethanone?
1-(2,3,5-trimethyl-1,2-oxazolidin-4-yl)ethanone has a molecular weight of 157.21 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5-trimethyl-1,2-oxazolidin-4-yl)ethanone is sourced from PubChem (CID 15586250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).